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2-아미노-4-클로로페놀

2-Amino-4-chlorophenol

HCID 7265
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인쇄 미리보기

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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
95-85-2
표준 SMILES
Nc1cc(Cl)ccc1O
InChIKey
SWFNPENEBHAHEB-UHFFFAOYSA-N
분자식
C6H6ClNO
평균 분자량
143.57 g/mol
단동위원소 질량
143.01379149

개요

2-Amino-4-Chlorophenol can cause cancer according to California Labor Code.

이름 및 식별자

우선 이름
2-Amino-4-chlorophenol
IUPAC
2-amino-4-chlorophenol
현지명
2-아미노-4-클로로페놀
영어명
2-Amino-4-chlorophenol
분자식
C6H6ClNO
분자량
143.57

이름 및 동의어

2-Amino-4-chlorophenol95-85-25-CHLORO-2-HYDROXYANILINE4-Chloro-2-aminophenolPhenol, 2-amino-4-chloro-Fouramine PY2-Hydroxy-5-chloroanilinep-Chloro-o-aminophenolC.I. Oxidation Base 18C.I. 76525DTXSID50244732Z43LEA3DX
이름 더 보기
2-아미노-4-클로로페놀4-클로로-2-아미노페놀Chlorzoxazone Related CoMpound Ac.i.76525fouraminepy2-AMino-4-chloc.i.oxidationbase18TIMTEC-BB SBB007588
RODOL PYNSC-247814O-AMINO-P-CHLOROPHENOLDTXCID504473aminochlorophenolRefChem:85194202-458-92-amino-4-chloro-phenol

데이터베이스 식별자

CAS
95-85-2
PubChem CID
7265
DTXSID
DTXSID5024473
ChEMBL
CHEMBL251389
UNII
2Z43LEA3DX
EC Number
202-458-9
Nikkaji
J31.070K

물성

구조 계산 물성보충 중

XLogP
1.8
극성 표면적
46.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
9
형식 전하
0
복잡도
99.1

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Amino Phenols
Cosmetics · 2건

Cosmetic ingredients (4-Chloro-2-Aminophenol) -> CIR (Cosmetic Ingredient Review)

Hair dyeing

LogP · 2건

1.24

1.81

Solubility · 2건

less than 1 mg/mL at 68 °F (NTP, 1992)

Solubility in water, g/l at 26 °C: 3 (slightly soluble)

Flash Point170 °C
Decomposition170 °C
Melting Point · 2건

284 to 286 °F (decomposes) (NTP, 1992)

140 °C

Vapor Pressure · 2건

0.00141 [mmHg]

Vapor pressure, Pa at 25 °C: 0.2

Physical Description · 3건

2-Amino-4-chlorophenol is a light brown colored crystalline solid. It may be toxic by ingestion. It is insoluble in water. It is used to make other chemicals.

Brown solid; [ICSC] Brown powder; [Alfa Aesar MSDS]

BROWN CRYSTALLINE POWDER WITH CHARACTERISTIC ODOUR.

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 15.5% (15 of 97) of reports.

Warning

H302 (84.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 97 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

유해성 정보

Regulatory Information · 5건

Chemical: Phenol, 2-amino-4-chloro-

Hazard Traits - Carcinogenicity

Status: Active Update: 23-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10289

4-Chloro-2-aminophenol: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety InformationIMAP assessments - Phenol, 2-amino-4-chloro-: Environment tier I assessment
DOT LabelPoison
Fire Hazards · 3건

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

· Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes.

Combustible. Gives off irritating or toxic fumes (or gases) in a fire.

Health Hazards · 2건

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

· Highly toxic, may be fatal if inhaled, ingested or absorbed through skin.

화학 및 산업

용도 및 제조

Uses · 2건

CIR ingredient: 4-Chloro-2-Aminophenol

Used as an intermediate; [NTP]

Use ClassificationCosmetics -> Hair dyeing
General Manufacturing InformationPhenol, 2-amino-4-chloro-: ACTIVE

응용 분야

용도Intermediate.

일반 설명5-Chloro-2-hydroxyaniline is a light brown colored crystalline solid. 5-Chloro-2-hydroxyaniline may be toxic by ingestion. 5-Chloro-2-hydroxyaniline is insoluble in water. 5-Chloro-2-hydroxyaniline is used to make other chemicals.

상·하류 제품 정보

상류 원료

Nitrobenzenechloroazobenzene4-Chloro-2-nitrophenol

하류 제품

뉴트럴레드2g1-페닐-1H-테트라졸-5-티올(R)-5-chloro-2-(5-Methyl-1,4-diazepan-1-yl)benzo[d]oxazole3-아미노-5-클로로-2-하이드록시벤젠설포닉산3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2(3H)-benzoxazolone

관련 반응

103건
반응 기록 만들기
HRID 7772 반응식
HRID 7772반응물로uspto-grants-2006_08
HRID 29857 반응식
HRID 29857반응물로uspto-grants-2008_09
HRID 61517 반응식
HRID 61517반응물로uspto-grants-2016_09
HRID 70123 반응식
HRID 70123반응물로uspto-grants-2014_09
HRID 74208 반응식
HRID 74208반응물로uspto-grants-2014_09
HRID 74282 반응식
HRID 74282반응물로uspto-grants-2014_09
HRID 106609 반응식
HRID 106609반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 110796 반응식
HRID 110796반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
Autoignition Temperature500 °C

물리화학적 성질

녹는점
136 · 136-141 °C(lit.)
끓는 점
185.5 °C · 185.5°C (rough estimate)
밀도
1.2028 · 1.2028 (rough estimate)
굴절률
1.5618 · 1.5618 (estimate)
저장 조건
2 · 2-8°C
용해도
2.3 g/L · 2.3g/L
산도 계수 (pKa)
9.31 · 9.31±0.18(Predicted)
물리적 상태
고체
색상
옅은 오렌지색에서 밝은 갈색까지
수용성
20 °C에서 · 불용성. 20°C에서 <0.1g/100mL
BRN
774859 · 774859
안정성
안정적인. 강한 산화제와 호환되지 않습니다.
화장품 원료 기능
머리 염색
InChI
1S/C6H6ClNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
InChIKey
SWFNPENEBHAHEB-UHFFFAOYSA-N
SMILES
Nc1cc(Cl)ccc1O
NIST
5 · 5-Chloro-2-hydroxyaniline(95-85-2)
EPA
2 · 2-Amino-4-chlorophenol (95-85-2)

화학적 성질

2-Amino-4-chlorophenol is a grayish to light brown crystalline solid or powder

Hazards SummaryCauses contact dermatitis. [ChemIDplus] May cause skin sensitization; [ICSC] A skin, eye, and mucous membrane irritant; [NTP] A skin and strong eye irritant; May induce methemoglobinemia; Toxic by ingestion; [Alfa Aesar MSDS]
DOT ID and Guide2673 151
Reactive GroupPhenols and Cresols
UN ClassificationUN Hazard Class: 6.1; UN Pack Group: II
Reactivity Profile2-AMINO-4-CHLOROPHENOL may react with strong oxidizing agents. (NTP, 1992)
Chemical DangersDecomposes on heating and on burning. This produces toxic and corrosive fumes including hydrogen chloride and nitrogen oxides. Reacts with oxidants.
Packaging and LabellingDo not transport with food and feedstuffs.

안전 및 보호

Fire Fighting · 2건

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

Use water spray, foam, powder, carbon dioxide.

First Aid Measures · 4건

Fresh air, rest. Seek medical attention if you feel unwell.

Wear protective gloves when administering first aid. Remove contaminated clothes. Rinse and then wash skin with water and soap.

Rinse with plenty of water for several minutes (remove contact lenses if easily possible).

Rinse mouth. Refer for medical attention .

Accidental Release Measures · 2건

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· Do not touch damaged containers or spilled material unless wearing appropriate protective clothing.

First Aid · 2건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

General First Aid:

Safe StorageSeparated from oxidants and food and feedstuffs.
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Spillage Disposal · 1건

Personal protection: particulate filter respirator adapted to the airborne concentration of the substance, protective clothing and protective gloves. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.

Isolation and Evacuation · 2건

Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:

Immediate precautionary measure

Eye PreventionWear safety goggles.
Fire PreventionNO open flames.
Inhalation RiskA nuisance-causing concentration of airborne particles can be reached quickly when dispersed, especially if powdered.

독성 정보

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Exposure RoutesThe substance can be absorbed into the body by inhalation and by ingestion.
Toxicity Summary · 2건

The CIR Expert Panel concludes that the available data support the safety of 6-Amino-m-Cresol, 4-Amino-m-Cresol, 5-Amino-4-Chloro-o-Cresol and 5-Amino-6-Chloro-o-Cresol as used in oxidative and nonoxidative (semipermanent) for dyes. The available data also support the safety of 6-Amino-o-Cresol and 4-Chloro-2-Aminophenol for use in oxidative hair dyes, but are insufficient to support the safety of 6-Amino-o-Cresol and 4-Chloro-2-Aminophenol and nonoxidative (semipermanent) hair dyes.

Safe for use in cosmetics, with qualifications

Signs and Symptoms · 3건

See Effects of short-term exposure.

Redness.

Redness.

ICSC Environmental DataEnvironmental effects from the substance have not been investigated adequately.
Carcinogen Classification · 5건

2-Amino-4-chlorophenol

Group 2B: Possibly carcinogenic to humans

Volume 123: (2020) Some Nitrobenzenes and Other Industrial Chemicals

2020 online

2018

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
SJ5700000
ridadr
UN 2673
HS 번호
29222900
risk_code
22-36/37/38-20/21/22
hazard_code
Xn
safety_code
26-36-36/37/39
포장분류
II
위험 등급
6.1
기존화학 물질
KE-05510
Hazard Classifications
Acute Tox. 4 OralCarc. 2
스토리지 클래스
6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
2,5-디클로로벤조옥사졸
Acid Black 181
Mordant Blue 13
Chromate,bis[4-[[3-[(5-chloro-2-hydroxyphenyl)azo]-2,4-dihydroxyphenyl]azo]-3-hydroxy-7-nitro-1-naphthalenesulfonato]-,disodium hydrogen
모단트블랙56
모란트블루18
Chromate(1-), [5-[[5-chloro-2-(hydroxy-κO)phenyl]azo-κN1]-4-hydroxy-6-(hydroxy-κO)-2-naphthalenesulfonato(3-)]hydroxy-, sodium
모르간트그린28
뉴트럴레드2g
Solvent Red 243
Solvent Violet 58
Mordant violet 40 (C.I. 14745)
Acid Black 102